Benzyl Alcohol → HCID 57518469, compound

HRID 695887Notes

Reaction equation

HRID 695887 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][C:11](=[O:12])[N:13]1[CH2:14][c:15]2[n:16]([c:19]([C:25]([F:26])([F:27])[F:28])[n:20][c:21]2[C:22](=[O:23])[OH:24])[CH2:17][CH2:18]1)[CH2:29][c:30]1[c:31]([F:38])[cH:32][c:33]([F:37])[c:34]([F:36])[cH:35]1.[CH3:50][N:51]([CH3:52])[CH2:53][CH2:54][CH2:55][N:56]=[C:57]=[N:58][CH2:59][CH3:60].[Cl:69][CH2:70][Cl:71].[ClH:49].[OH:39][n:40]1[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1.[OH:61][CH2:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][C:11](=[O:12])[N:13]1[CH2:14][c:15]2[n:16]([c:19]([C:25]([F:26])([F:27])[F:28])[n:20][c:21]2[C:22]([O:23][CH2:62][c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)=[O:24])[CH2:17][CH2:18]1)[CH2:29][c:30]1[c:31]([F:38])[cH:32][c:33]([F:37])[c:34]([F:36])[cH:35]1

Participants

7

Reactant 6

HCID 244Benzyl AlcoholHCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 575184047-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid

Product 1

HCID 57518469HCID 57518469, compound

Sources & evidence

ORD record
ord-ba043dc1ca034865b4d0a6a390cc946c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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